WI4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | CAJ | sing | 1.74Å | 1.64Å | |
| CAJ | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAK | doub | 1.39Å | 1.37Å | Aromatic |
| CAI | CAA | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAA | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAC | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAK | NAL | sing | 1.40Å | 1.33Å | |
| NAL | CAM | sing | 1.38Å | 1.32Å | |
| CAM | NAN | doub | 1.33Å | 1.35Å | Aromatic |
| CAM | NAD | sing | 1.33Å | 1.34Å | Aromatic |
| CAO | NAN | sing | 1.33Å | 1.33Å | Aromatic |
| NAD | CAE | doub | 1.32Å | 1.39Å | Aromatic |
| CAE | NAF | sing | 1.32Å | 1.41Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| NAF | CAO | doub | 1.33Å | 1.35Å | Aromatic |
| CAO | NAP | sing | 1.39Å | 1.34Å | |
| NAP | CAQ | sing | 1.37Å | 1.34Å | Aromatic |
| NAP | CAG | sing | 1.37Å | 1.33Å | Aromatic |
| CAQ | CAR | doub | 1.35Å | 1.32Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | CAH | sing | 1.41Å | 1.34Å | Aromatic |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAH | CAG | doub | 1.35Å | 1.33Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| NAL | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | CAJ | CAI | 123.0° | 120.0° |
| CL | CAJ | CAK | 116.8° | 120.1° |
| CAI | CAJ | CAK | 120.3° | 119.9° |
| CAJ | CAI | CAA | 119.2° | 120.1° |
| CAJ | CAI | HAI | 120.4° | 119.9° |
| CAJ | CAK | CAC | 121.1° | 119.9° |
| CAJ | CAK | NAL | 114.2° | 120.0° |
| CAA | CAI | HAI | 120.4° | 120.0° |
| CAI | CAA | CAB | 120.7° | 120.1° |
| CAI | CAA | HAA | 119.6° | 119.9° |
| CAB | CAA | HAA | 119.6° | 120.0° |
| CAA | CAB | CAC | 119.3° | 120.1° |
| CAA | CAB | HAB | 120.3° | 119.9° |
| CAC | CAB | HAB | 120.3° | 120.0° |
| CAB | CAC | CAK | 119.3° | 119.9° |
| CAB | CAC | HAC | 120.3° | 120.0° |
| CAK | CAC | HAC | 120.4° | 120.0° |
| CAC | CAK | NAL | 124.7° | 120.1° |
| CAK | NAL | CAM | 114.7° | 120.0° |
| CAK | NAL | H10 | 122.6° | 120.0° |
| NAL | CAM | NAN | 117.3° | 120.1° |
| NAL | CAM | NAD | 120.5° | 120.0° |
| CAM | NAL | H10 | 122.7° | 120.0° |
| NAN | CAM | NAD | 122.2° | 119.9° |
| CAM | NAN | CAO | 122.0° | 119.8° |
| CAM | NAD | CAE | 117.3° | 120.0° |
| NAN | CAO | NAF | 119.0° | 120.0° |
| NAN | CAO | NAP | 119.6° | 120.0° |
| NAD | CAE | NAF | 119.4° | 120.2° |
| NAD | CAE | HAE | 120.3° | 119.9° |
| NAF | CAE | HAE | 120.3° | 119.9° |
| CAE | NAF | CAO | 120.1° | 120.1° |
| NAF | CAO | NAP | 121.4° | 120.0° |
| CAO | NAP | CAQ | 124.0° | 125.7° |
| CAO | NAP | CAG | 127.5° | 125.7° |
| CAQ | NAP | CAG | 108.5° | 108.6° |
| NAP | CAQ | CAR | 108.0° | 108.2° |
| NAP | CAQ | HAQ | 126.0° | 125.9° |
| NAP | CAG | CAH | 107.0° | 108.2° |
| NAP | CAG | HAG | 126.5° | 125.9° |
| CAR | CAQ | HAQ | 126.0° | 125.9° |
| CAQ | CAR | CAH | 107.7° | 107.6° |
| CAQ | CAR | HAR | 126.1° | 126.2° |
| CAH | CAR | HAR | 126.1° | 126.2° |
| CAR | CAH | CAG | 108.8° | 107.5° |
| CAR | CAH | HAH | 125.6° | 126.3° |
| CAG | CAH | HAH | 125.6° | 126.2° |
| CAH | CAG | HAG | 126.5° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | CAJ | CAI | CAK | 179.5° | 179.8° |
| CL | CAJ | CAI | CAA | 179.2° | 180.0° |
| CL | CAJ | CAI | HAI | 0.8° | 0.1° |
| CL | CAJ | CAK | CAC | 179.7° | 179.7° |
| CL | CAJ | CAK | NAL | 0.7° | 0.1° |
| CAJ | CAI | CAA | HAI | 180.0° | 179.9° |
| CAJ | CAI | CAA | CAB | 0.8° | 0.0° |
| CAJ | CAI | CAA | HAA | 179.1° | 179.9° |
| CAI | CAJ | CAK | CAC | 0.1° | 0.5° |
| CAI | CAJ | CAK | NAL | 179.7° | 179.7° |
| CAK | CAJ | CAI | CAA | 0.3° | 0.2° |
| CAK | CAJ | CAI | HAI | 179.7° | 179.8° |
| CAJ | CAK | CAC | CAB | 0.1° | 0.5° |
| CAJ | CAK | CAC | NAL | 179.6° | 179.8° |
| CAJ | CAK | CAC | HAC | 179.9° | 179.8° |
| CAJ | CAK | NAL | CAM | 171.5° | 151.1° |
| CAJ | CAK | NAL | H10 | 8.6° | 28.8° |
| CAI | CAA | CAB | HAA | 180.0° | 179.9° |
| CAI | CAA | CAB | CAC | 0.9° | 0.0° |
| CAI | CAA | CAB | HAB | 179.1° | 180.0° |
| HAI | CAI | CAA | CAB | 179.2° | 180.0° |
| HAI | CAI | CAA | HAA | 0.8° | 0.1° |
| CAA | CAB | CAC | HAB | 180.0° | 180.0° |
| CAA | CAB | CAC | CAK | 0.4° | 0.3° |
| CAA | CAB | CAC | HAC | 179.6° | 180.0° |
| HAA | CAA | CAB | CAC | 179.1° | 179.9° |
| HAA | CAA | CAB | HAB | 0.9° | 0.1° |
| CAB | CAC | CAK | HAC | 180.0° | 179.7° |
| CAB | CAC | CAK | NAL | 179.7° | 179.7° |
| HAB | CAB | CAC | CAK | 179.6° | 179.8° |
| HAB | CAB | CAC | HAC | 0.4° | 0.1° |
| CAC | CAK | NAL | CAM | 8.9° | 28.7° |
| CAC | CAK | NAL | H10 | 171.1° | 151.4° |
| HAC | CAC | CAK | NAL | 0.3° | 0.0° |
| CAK | NAL | CAM | H10 | 180.0° | 180.0° |
| CAK | NAL | CAM | NAN | 3.5° | 173.9° |
| CAK | NAL | CAM | NAD | 176.5° | 6.5° |
| NAL | CAM | NAN | NAD | 180.0° | 179.7° |
| NAL | CAM | NAN | CAO | 179.1° | 180.0° |
| NAL | CAM | NAD | CAE | 179.2° | 180.0° |
| NAN | CAM | NAD | CAE | 0.8° | 0.3° |
| CAM | NAN | CAO | NAF | 0.7° | 0.1° |
| CAM | NAN | CAO | NAP | 179.2° | 179.7° |
| NAN | CAM | NAL | H10 | 176.6° | 6.2° |
| NAD | CAM | NAN | CAO | 0.9° | 0.3° |
| CAM | NAD | CAE | NAF | 0.6° | 0.0° |
| CAM | NAD | CAE | HAE | 179.4° | 180.0° |
| NAD | CAM | NAL | H10 | 3.5° | 173.5° |
| NAN | CAO | NAF | CAE | 0.5° | 0.2° |
| NAN | CAO | NAF | NAP | 178.4° | 179.8° |
| NAN | CAO | NAP | CAQ | 175.5° | 179.7° |
| NAN | CAO | NAP | CAG | 3.0° | 0.1° |
| NAD | CAE | NAF | HAE | 180.0° | 179.9° |
| NAD | CAE | NAF | CAO | 0.4° | 0.2° |
| CAE | NAF | CAO | NAP | 178.9° | 180.0° |
| HAE | CAE | NAF | CAO | 179.6° | 179.7° |
| NAF | CAO | NAP | CAQ | 2.9° | 0.1° |
| NAF | CAO | NAP | CAG | 178.6° | 179.7° |
| CAO | NAP | CAQ | CAG | 178.8° | 179.7° |
| CAO | NAP | CAQ | CAR | 179.0° | 180.0° |
| CAO | NAP | CAQ | HAQ | 1.0° | 0.1° |
| CAO | NAP | CAG | CAH | 179.1° | 179.8° |
| CAO | NAP | CAG | HAG | 0.9° | 0.1° |
| NAP | CAQ | CAR | HAQ | 180.0° | 179.9° |
| NAP | CAQ | CAR | CAH | 0.0° | 0.0° |
| NAP | CAQ | CAR | HAR | 180.0° | 180.0° |
| CAQ | NAP | CAG | CAH | 0.4° | 0.5° |
| CAQ | NAP | CAG | HAG | 179.6° | 179.8° |
| CAG | NAP | CAQ | CAR | 0.3° | 0.3° |
| CAG | NAP | CAQ | HAQ | 179.8° | 179.8° |
| NAP | CAG | CAH | CAR | 0.4° | 0.5° |
| NAP | CAG | CAH | HAG | 180.0° | 179.7° |
| NAP | CAG | CAH | HAH | 179.6° | 179.9° |
| CAQ | CAR | CAH | HAR | 180.0° | 180.0° |
| CAQ | CAR | CAH | CAG | 0.2° | 0.3° |
| CAQ | CAR | CAH | HAH | 179.8° | 180.0° |
| HAQ | CAQ | CAR | CAH | 180.0° | 179.9° |
| HAQ | CAQ | CAR | HAR | 0.0° | 0.0° |
| CAR | CAH | CAG | HAH | 180.0° | 179.7° |
| CAR | CAH | CAG | HAG | 179.7° | 179.8° |
| HAR | CAR | CAH | CAG | 179.8° | 179.7° |
| HAR | CAR | CAH | HAH | 0.2° | 0.1° |
| HAH | CAH | CAG | HAG | 0.3° | 0.1° |
